N-cyclopropyl-N-[[7-methylsulfanyl-2-[methyl(thiophen-3-ylmethyl)amino]quinolin-3-yl]methyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-cyclopropyl-N-[[7-methylsulfanyl-2-[methyl(thiophen-3-ylmethyl)amino]quinolin-3-yl]methyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-cyclopropyl-N-[[7-methylsulfanyl-2-[methyl(3-thienylmethyl)amino]-3-quinolyl]methyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-cyclopropyl-N-[[7-(methylthio)-2-[methyl(3-thiophenylmethyl)amino]-3-quinolinyl]methyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-cyclopropyl-N-[[7-methylsulfanyl-2-[methyl(thiophen-3-ylmethyl)amino]quinolin-3-yl]methyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-cyclopropyl-N-[[2-[methyl(3-thenyl)amino]-7-(methylthio)-3-quinolyl]methyl]-piperonylamide Formula: C28H27N3O3S2 MolecularWeight: 517.66228

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CSC=C1)C2=C(C=C3C=CC(=CC3=N2)SC)CN(C4CC4)C(=O)C5=CC6=C(C=C5)OCO6

Isomeric SMILES

CN(CC1=CSC=C1)C2=C(C=C3C=CC(=CC3=N2)SC)CN(C4CC4)C(=O)C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C28H27N3O3S2/c1-30(14-18-9-10-36-16-18)27-21(11-19-3-7-23(35-2)13-24(19)29-27)15-31(22-5-6-22)28(32)20-4-8-25-26(12-20)34-17-33-25/h3-4,7-13,16,22H,5-6,14-15,17H2,1-2H3